SCHEMBL20177563

SCHEMBL20177563

O=C(Nc1ccc(F)cc1)N[C@@H]1c2nc3ccccc3n2C[C@H]1c1c(F)cc(Br)cc1F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 13/20 0.45
FPR1 P21462 9/20 0.43
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20177512 0.88 FPR2 (0.59) FPR2FPR1
SCHEMBL20177777 0.88 FPR2 (0.44) FPR2FPR1LMNAHTTALDH1A1
SCHEMBL20177528 0.78 FPR2 (0.48) FPR2FPR1
SCHEMBL20177529 0.77 FPR2 (0.46) FPR2FPR1NPC1RAB9A
SCHEMBL20177640 0.74 DPP4 (0.38) HTTALDH1A1TP53
SCHEMBL20177499 0.74 SMN1; SMN2 (0.37) LMNAHTTALDH1A1NPC1MAPT
SCHEMBL20177479 0.73 FPR2 (0.79) FPR2FPR1GAA
SCHEMBL20177524 0.70 FPR2 (0.50) FPR2FPR1
SCHEMBL20411634 0.69 FPR2 (0.63) FPR2FPR1
SCHEMBL18264221 0.69 FPR2 (0.63) FPR2FPR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed